SCHEMBL23912303

SCHEMBL23912303

CCc1nc2cccc(CCCN3CC4(COC4)C3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.57
KCNH2 Q12809 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23912317 0.91 PIK3CD (0.58) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL23912243 0.88 PIK3CD (0.50) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL23912265 0.86 PIK3CD (0.56) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL23912237 0.84 HRH3 (0.59) PIK3CDKCNH2HRH3
SCHEMBL23912240 0.75 PIK3CD (0.55) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL23912253 0.75 SMN1; SMN2 (0.45) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL20404284 0.74 SMN1; SMN2 (0.48) PIK3CDKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL17458136 0.74 PIK3CD (1.00) PIK3CD
SCHEMBL17458132 0.74 PIK3CD (1.00) PIK3CD
SCHEMBL17458419 0.74 PIK3CD (0.59) PIK3CD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160960-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-10-13 EP disclosed